Compound Identification
SMILES
OC(=O)C(F)(F)F.O=C(NC1=C(C=NN1CCC1=CC=CC=C1)C(=O)NCC1=CC=CC2=CC=CC=C12)C1CCCNC1
InChIKey
InChIKey=JRJGNBFOEYZAIC-UHFFFAOYSA-N
Formula
C31H32F3N5O4
Mass
595.623
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Naphthalenes Piperidinecarboxamides Pyrazole-4-carboxamides N-arylamides Benzene and substituted derivatives Vinylogous amides Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Naphthalene - 3-piperidinecarboxamide - Piperidinecarboxamide - Pyrazole-4-carboxamide - N-arylamide - Monocyclic benzene moiety - Benzenoid - Piperidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Vinylogous amide - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary aliphatic amine - Azacycle - Secondary amine - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available